methyl 2-[2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-4-oxo-quinazolin-3-yl]acetate CAS Name: 2-[2-[2-(3,5-dimethylphenoxy)ethylthio]-4-oxo-3-quinazolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-4-oxoquinazolin-3-yl]acetate Traditional Name: 2-[2-[2-(3,5-dimethylphenoxy)ethylthio]-4-keto-quinazolin-3-yl]acetic acid methyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCSC2=NC3=CC=CC=C3C(=O)N2CC(=O)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCSC2=NC3=CC=CC=C3C(=O)N2CC(=O)OC)C

InChI

InChI=1S/C21H22N2O4S/c1-14-10-15(2)12-16(11-14)27-8-9-28-21-22-18-7-5-4-6-17(18)20(25)23(21)13-19(24)26-3/h4-7,10-12H,8-9,13H2,1-3H3